4FN4
short-chain NAD(H)-dependent dehydrogenase/reductase from Sulfolobus acidocaldarius
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-24 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.800, 60.480, 107.080 |
Unit cell angles | 90.00, 99.78, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.750 |
R-factor | 0.168 |
Rwork | 0.168 |
R-free | 0.19100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hq1 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.065 | 0.356 |
Number of reflections | 101794 | |
Completeness [%] | 95.0 | 98 |
Redundancy | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2.0M ammonium sulfate, 0.1M HEPES buffer (pH 7.5) , VAPOR DIFFUSION, HANGING DROP, temperature 293K |